Using VASP

Moderators: Global Moderator, Moderator

New Topic

5821 topics

Page 194 of 292
- Jump to page:
Previous
1
…
192
193
194
195
196
…
292
Next

Topics

Replies

Views

Last post

Exchange of atoms...

Last post by Danny « Sun Sep 23, 2012 9:33 pm
Replies: 1
by danith » Wed Sep 12, 2012 4:51 pm

1 Replies

2303 Views

Last post by Danny
Sun Sep 23, 2012 9:33 pm
thermostat

Last post by cenwanglai « Sun Sep 16, 2012 2:39 am
Replies: 1
by poivre » Wed Sep 12, 2012 3:52 pm

1 Replies

2947 Views

Last post by cenwanglai
Sun Sep 16, 2012 2:39 am
spin density visualization

Last post by jlrch « Fri Sep 14, 2012 2:59 am
Replies: 1
by d7cf88 » Thu Aug 23, 2012 6:05 pm

1 Replies

3623 Views

Last post by jlrch
Fri Sep 14, 2012 2:59 am
calculating NiO slab energy

Last post by satish2414 « Thu Sep 13, 2012 5:48 pm
Replies: 2
by siva » Tue Oct 18, 2005 5:06 am

2 Replies

4412 Views

Last post by satish2414
Thu Sep 13, 2012 5:48 pm
Van der waal interaction calculation

Last post by kelum « Wed Sep 12, 2012 4:29 pm
Replies: 3
by naresh124 » Tue Sep 11, 2012 9:50 am

3 Replies

5981 Views

Last post by kelum
Wed Sep 12, 2012 4:29 pm
Geometric optimization and Temperature

Last post by saran6187 « Tue Sep 11, 2012 8:48 pm
Replies: 2
by saran6187 » Mon Sep 10, 2012 4:46 pm

2 Replies

3398 Views

Last post by saran6187
Tue Sep 11, 2012 8:48 pm
Question on the surpercell size

Last post by vistawanted « Tue Sep 11, 2012 8:27 am
Replies: 2
by xskong » Wed Sep 05, 2012 10:48 am

2 Replies

2853 Views

Last post by vistawanted
Tue Sep 11, 2012 8:27 am
vdW-DF functional

Last post by silviautpl « Wed Sep 05, 2012 11:37 am
Replies: 2
by silviautpl » Sun Sep 02, 2012 5:57 pm

2 Replies

3644 Views

Last post by silviautpl
Wed Sep 05, 2012 11:37 am
Useing vasp4.6 and 5.2 results in different energies

Last post by boris « Wed Sep 05, 2012 11:16 am
Replies: 3
by dyc_2008 » Sun Sep 02, 2012 5:15 am

3 Replies

3402 Views

Last post by boris
Wed Sep 05, 2012 11:16 am
PhD.-thesis G. Kresse

Last post by alex « Tue Sep 04, 2012 9:02 am
Replies: 6
by maartendft » Thu Jun 21, 2012 6:08 am

6 Replies

5737 Views

Last post by alex
Tue Sep 04, 2012 9:02 am
FERWE & FERDO tags

Last post by matusalem « Thu Aug 30, 2012 11:02 pm
Replies: 2
by windiks » Tue Aug 16, 2005 1:01 pm

2 Replies

10125 Views

Last post by matusalem
Thu Aug 30, 2012 11:02 pm
Orbital energies of molecules

Last post by admin « Thu Aug 30, 2012 3:49 pm
Replies: 2
by ...andRobin! » Fri Aug 10, 2012 4:01 am

2 Replies

3670 Views

Last post by admin
Thu Aug 30, 2012 3:49 pm
DFT without atoms

Last post by tlchan « Thu Aug 30, 2012 4:05 am
Replies: 1
by efang » Fri Aug 10, 2012 1:54 am

1 Replies

2287 Views

Last post by tlchan
Thu Aug 30, 2012 4:05 am
Fractional occupancies in the Ni free atom

Last post by kelum « Wed Aug 22, 2012 9:27 am
Replies: 3
by Free Electron » Tue Aug 21, 2012 12:53 pm

3 Replies

4471 Views

Last post by kelum
Wed Aug 22, 2012 9:27 am
How to apply uniaxial stress?

Last post by maartendft « Tue Aug 21, 2012 8:23 pm
Replies: 2
by zrfssh » Thu Aug 02, 2012 6:16 am

2 Replies

6076 Views

Last post by maartendft
Tue Aug 21, 2012 8:23 pm
problems about the uniaxial strain

Last post by icemoonhe « Sun Aug 19, 2012 3:17 am
Replies: 1
by icemoonhe » Sat Aug 18, 2012 10:41 am

1 Replies

3787 Views

Last post by icemoonhe
Sun Aug 19, 2012 3:17 am
the amplitude in temperature fluctuation of MD

Last post by admin « Thu Aug 16, 2012 11:41 am
Replies: 1
by luke419 » Tue Aug 14, 2012 5:05 am

1 Replies

5200 Views

Last post by admin
Thu Aug 16, 2012 11:41 am
reconstruction

Last post by admin « Thu Aug 16, 2012 11:22 am
Replies: 2
by apple » Tue Aug 14, 2012 5:34 pm

2 Replies

2757 Views

Last post by admin
Thu Aug 16, 2012 11:22 am
Problem running NEB calculation

Last post by kambiz « Tue Aug 14, 2012 12:00 pm
Replies: 3
by hadasabir » Sun Aug 12, 2012 9:32 am

3 Replies

3935 Views

Last post by kambiz
Tue Aug 14, 2012 12:00 pm
magnetic moment jumps to near 0 in large ni3al supercell with high accu

Last post by browningcitori « Mon Aug 13, 2012 5:47 pm
Replies: 6
by browningcitori » Wed Jul 18, 2012 4:44 pm

6 Replies

5523 Views

Last post by browningcitori
Mon Aug 13, 2012 5:47 pm

New Topic

5821 topics

Page 194 of 292
- Jump to page:
Previous
1
…
192
193
194
195
196
…
292
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum